Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
9.1368 1.5485 0.5866 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3901 0.1462 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1405 -0.7289 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0665 -0.1000 -0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7648 -0.8226 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1549 -0.9341 0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8521 -1.6623 0.8307 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8012 -1.0032 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4855 0.3943 0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4361 1.0160 -0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1302 0.2754 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7950 1.0304 -1.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1522 0.3805 -1.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8660 0.2881 -0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2266 -0.3711 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1497 0.3585 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5096 -0.2229 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2228 -0.2359 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7692 0.2505 0.9497 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5200 -0.8434 -0.0569 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.2191 -0.8555 1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4730 0.5145 1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7080 0.9394 1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6224 2.1801 -0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1297 2.0364 0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5403 1.6050 1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5615 0.1998 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2678 -0.2936 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4361 -1.7354 -0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8160 -0.6802 1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4289 -0.1091 -1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9687 0.9451 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0522 -0.2637 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8413 -1.8427 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8215 -1.4304 1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9623 0.0908 1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4565 -1.7393 1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9861 -2.6994 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0273 -1.0498 -1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8767 -1.6165 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3719 1.0655 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1006 0.3955 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8667 1.1077 -1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3204 2.0702 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2802 -0.7614 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3107 0.3767 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3520 1.0237 -2.4405 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8446 2.0742 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0485 -0.6291 -1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7616 0.9833 -2.2391 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0274 1.2610 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2863 -0.3311 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0613 -1.4342 -0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6401 -0.4407 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6798 0.3592 -2.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1774 1.4448 -0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1527 0.3856 -2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4721 -1.2308 -1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9163 -1.2602 -0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5384 -1.3781 1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1579 -1.4403 1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6526 1.1817 1.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8602 1.9523 2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5428 0.2649 1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers